SCHEMBL20385594

SCHEMBL20385594

COc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1NS(=O)(=O)C1(CCCO)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.61
CHEK1 O14757 1/20 0.61
MAP2K2 P36507 1/20 0.61
MAPK10 P53779 1/20 0.61
PRKAG1 P54619 1/20 0.61
ADCK1 Q86TW2 1/20 0.61
PRKAG2 Q9UGJ0 1/20 0.61
CSF1R P07333 1/20 0.38
SCN5A Q14524 10/20 0.37
KCNH2 Q12809 9/20 0.36
P2RX7 Q99572 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19050663 0.94 MAP2K1 (0.65) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385592 0.91 MAP2K1 (0.60) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL17635998 0.90 MAP2K1 (0.75) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385654 0.88 CHEK1 (0.48) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385576 0.88 MAP2K1 (0.54) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050685 0.86 MAP2K1 (0.72) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385641 0.86 MAP2K1 (0.69) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL10258182 0.85 MAP2K1 (0.82) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL12869829 0.85 MAP2K1 (0.82) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL12869782 0.85 MAP2K1 (0.82) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714652-B1 CHIRAL SYNTHESIS OF N-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-6-METHOXYPHENYL}-1-[2,3-DIHYDROXY-PROPYL]CYCLOPROPANESULFONAMIDES BAYER IP GMBH (DE) 2018-07-18 EP disclosed